1-[[1-[2-Bis(3-cyanoindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-cyanoindol-1-yl)phosphanyl]indole-3-carbonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 1-[[1-[2-Bis(3-cyanoindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-cyanoindol-1-yl)phosphanyl]indole-3-carbonitrile
• 英文别名: 1-[[1-[2-bis(3-cyanoindol-1-yl)phosphanyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy-(3-cyanoindol-1-yl)phosphanyl]indole-3-carbonitrile
• 化学式: C₅₆H₄₀N₈O₂P₂
• 分子量: 918.9
• InChiKey: ZQHFOROLZWBHNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.2
• 重原子数：
  68
• 可旋转键数：
  9
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Bidentate Ligands for Hydroformylation of Ethylene
  申请人：DOW TECHNOLOGY INVESTMENTS LLC

  公开号：US20150328628A1

  公开（公告）日：2015-11-19

  A process for the hydroformylation of ethylene, with a transition metal, e.g., rhodium, catalyst promoted with a bidentate ligand of Formula I, II or III in which each R 1 -R 24 are independently a hydrogen, a hydrocarbyl group, an aromatic ring, a heteroaromatic ring or a halogen atom, or a heterocarbyl group. X 1 is CH 2 or O, while X 2 is O or C(R 25 ) 2 , where each R 25 may be the same or different and is a hydrogen, a cycloaliphatic group, an aromatic ring, a heteroaromatic ring or a halogen atom, or a heterocarbyl group, wherein two R 25 groups may combine in a fused ring, and Y is a pyrrole group bound via the nitrogen atom to phosphorus, wherein each pyrrole group may bear multiple substituents selected from among the groups alkyl, alkoxy, acyl, carboxyl, carboxylate, cyano, —SO 3 H, sulfonate, amino, trifluoromethyl and halogen.

  一种用过渡金属（例如铑）催化剂促进的双齿配体（化学式I、II或III）的乙烯氢甲酰化过程，其中每个R1-R24独立地是氢、烃基团、芳香环、杂芳环或卤素原子，或者是杂烃基团。X1为CH2或O，而X2为O或C(R25)2，其中每个R25可能相同或不同，是氢、环烷基团、芳香环、杂芳环或卤素原子，或者是杂烃基团，其中两个R25基团可以结合成融合环，Y是通过氮原子与磷结合的吡咯基团，其中每个吡咯基团可以带有多个取代基，取代基可选择自烷基、烷氧基、酰基、羧基、羧酸盐、氰基、—SO3H、磺酸盐、氨基、三氟甲基和卤素等基团。
• Bidentate ligands for hydroformylation of ethylene
  申请人：Dow Technology Investments LLC

  公开号：EP2740535A1

  公开（公告）日：2014-06-11

  A process for the hydroformylation of ethylene, with a transition metal, e.g., rhodium, catalyst promoted with a bidentate ligand of Formula I, II or III in which each R1 -R24 are independently a hydrogen, a hydrocarbyl group, an aromatic ring, a heteroaromatic ring or a halogen atom, or a heterocarbyl group. X1 is CH2 or O, while X2 is O or C(R25)2, where each R25 may be the same or different and is a hydrogen, a cycloaliphatic group, an aromatic ring, a heteroaromatic ring or a halogen atom, or a heterocarbyl group, wherein two R25 groups may combine in a fused ring, and Y is a pyrrole group bound via the nitrogen atom to phosphorus, wherein each pyrrole group may bear multiple substituents selected from among the groups alkyl, alkoxy, acyl, carboxyl, carboxylate, cyano, -SO3H, sulfonate, amino, trifluoromethyl and halogen.

  一种用过渡金属（例如钌）催化剂促进的双齿配体（化学式I、II或III）的乙烯氢甲酰化过程，其中每个R1-R24独立地是氢、烃基团、芳香环、杂芳环或卤素原子，或者是杂烃基团。X1为CH2或O，而X2为O或C（R25）2，其中每个R25可能相同也可能不同，是氢、环脂肪基团、芳香环、杂芳环或卤素原子，或者是杂烃基团，其中两个R25基团可能结合成融合环，Y是通过氮原子与磷结合的吡咯基团，其中每个吡咯基团可能带有多个从烷基、烷氧基、酰基、羧基、羧酸盐、氰基、-SO3H、磺酸盐、氨基、三氟甲基和卤素中选择的取代基。
• US9795952B2
  申请人：——

  公开号：US9795952B2

  公开（公告）日：2017-10-24
• [EN] BIDENTATE LIGANDS FOR HYDROFORMYLATION OF ETHYLENE<br/>[FR] LIGANDS BIDENTÉS POUR L'HYDROFORMYLATION DE L'ÉTHYLÈNE
  申请人：DOW TECHNOLOGY INVESTMENTS LLC

  公开号：WO2014088800A1

  公开（公告）日：2014-06-12

  A process for the hydroformylation of ethylene, with a transition metal, e.g., rhodium, catalyst promoted with a bidentate ligand of Formula I, II or III in which each R1 -R24 are independently a hydrogen, a hydrocarbyl group, an aromatic ring, a heteroaromatic ring or a halogen atom, or a heterocarbyl group. X1 is CH2 or O, while X2 is O or C(R25)2, where each R25 may be the same or different and is a hydrogen, a cycloaliphatic group, an aromatic ring, a heteroaromatic ring or a halogen atom, or a heterocarbyl group, wherein two R25 groups may combine in a fused ring, and Y is a pyrrole group bound via the nitrogen atom to phosphorus, wherein each pyrrole group may bear multiple substituents selected from among the groups alkyl, alkoxy, acyl, carboxyl, carboxylate, cyano, -SO3H, sulfonate, amino, trifluoromethyl and halogen.